Materials Data on TlHgF3 by Materials Project
HgTlF3 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Hg2+ is bonded to six F1- atoms to form corner-sharing HgF6 octahedra. The corner-sharing octahedra tilt angles range from 14–17°. There are a spread of Hg–F bond distances ranging from 2.28–2.40 Å. Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.70–3.53 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and three equivalent Tl1+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and three equivalent Tl1+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and three equivalent Tl1+ atoms.